On Wed, Feb 10, 2010 at 08:55:48AM -0500, case wrote:
> On Tue, Feb 09, 2010, Mengjuei Hsieh wrote:
> > Yet another issues for pbsa integration is that I am still doing
> > single point calculation for every step of the nab minimization.
> > I.e. redundant initialization and deallocation will definitely
> > slow down the performance.
> OK...something to have on the to-do list. But you might want to check about
> how big the performance hit is.
Hi,
I went to check the profile of the whole calculation, the initialization
cost is not even significant enough to show up in the list.
figure: http://farm5.static.flickr.com/4018/4346919309_8af9a4fc53_o.png
So I'll just forget this, unless other people show me otherwise.
--
Mengjuei Hsieh, Luo Research Group, Molecular Biology & Biochemistry,
University of California Irvine.
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Received on Wed Feb 10 2010 - 17:30:02 PST
